SCHEMBL19084458

SCHEMBL19084458

Cc1nc(C)nc(/C=C/c2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 3/20 0.62
HPGD P15428 2/20 0.62
GRM4 Q14833 5/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
GRM5 P41594 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28850385 1.00 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDGRM4MEN1
SCHEMBL28798157 0.84 MEN1 (0.54) ALDH1A1KDM4EHPGDGRM4MEN1
SCHEMBL12595126 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDGRM4MEN1
SCHEMBL10123059 0.81 GRM4 (0.56) ALDH1A1KDM4EHPGDGRM4MEN1
SCHEMBL17972534 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDGRM4MEN1
SCHEMBL10060647 0.78 L3MBTL1 (0.61) ALDH1A1KDM4EHPGDGRM4MEN1
SCHEMBL31484371 0.74 HRH4 (0.58) ALDH1A1KDM4EHPGDGRM4MEN1
SCHEMBL20815523 0.74 PDE5A (0.46) ALDH1A1KDM4EHPGDGRM4MEN1
SCHEMBL20815516 0.74 CASP3 (0.47) ALDH1A1KDM4EHPGDGRM4MEN1
SCHEMBL28773675 0.74 HRH4 (0.58) ALDH1A1KDM4EHPGDGRM4MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180009213-A1 LITHOGRAPHIC PRINTING PLATES PRECURSORS COMPRISING A RADIATION SENSITIVE IMAGEABLE LAYER WITH A CROSSLINKED SURFACE MYLAN GROUP (VN) 2018-01-11 US disclosed
US-20170190168-A1 LITHOGRAPHIC PRINTING PLATES PRECURSORS COMPRISING A RADIATION SENSITIVE IMAGEABLE LAYER WITH A CROSSLINKED SURFACE MYLAN GROUP (VN) 2017-07-06 US disclosed